2,3-Bis(1-oxobutoxy)propyl stearate

Base Information

• Chemical Name: 2,3-Bis(1-oxobutoxy)propyl stearate
• CAS No.: 56149-03-2
• Molecular Formula: C29H54 O6
• Molecular Weight: 498.744
• European Community (EC) Number: 260-017-6
• UNII: 98NGG5039H
• DSSTox Substance ID: DTXSID60971525
• Nikkaji Number: J296.584D
• Wikidata: Q27272131
• Mol file: 56149-03-2.mol

Synonyms:56149-03-2;2,3-Bis(1-oxobutoxy)propyl stearate;2,3-Dibutyro-1-stearin;EINECS 260-017-6;UNII-98NGG5039H;98NGG5039H;SCHEMBL2126841;DTXSID60971525;2,3-Bis-(1-oxobutoxy)propyl stearate;2,3-BIS(BUTANOYLOXY)PROPYL OCTADECANOATE;Octadecanoic acid 2,3-bis(1-oxobutoxy)propyl ester;Octadecanoic acid, 2,3-bis(1-oxobutoxy)propyl ester;Q27272131

Chemical Property of 2,3-Bis(1-oxobutoxy)propyl stearate

Chemical Property:

• Vapor Pressure: 2.07E-11mmHg at 25°C
• Boiling Point: 532.3°C at 760 mmHg
• Flash Point: 217.8°C
• PSA: 78.90000
• Density: 0.962g/cm³
• LogP: 7.84630
• XLogP3: 10
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 28
• Exact Mass: 498.39203944
• Heavy Atom Count: 35
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

Technology Process of 2,3-Bis(1-oxobutoxy)propyl stearate

There total 5 articles about 2,3-Bis(1-oxobutoxy)propyl stearate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

tributyrin (60-01-5) + Methyl stearate (112-61-8) → 1,2-bis-butyryloxy-3-stearoyloxy-propane (56149-03-2) + glycerol tristearate (555-43-1) + 2-butyryloxy-1,3-bis-stearoyloxy-propane (66411-63-0) + rac-1-Butyryl-2,3-distearoyl-glycerin (139665-43-3) + 2-(stearoyloxy)propane-1,3-diyl dibutyrate (139665-39-7)

Guidance literature:

With {1,5,7-triazabicyclo[4.4.0]dec-5-ene}-functionalized mesoporous SBA-15 silica; In neat (no solvent); at 80 ℃; for 1h; Time; Temperature; Concentration; Catalytic behavior;

DOI:10.1021/jf405434a

Reference yield:

octadecanoic acid 2,3-dihydroxypropyl ester (22610-63-5,342394-34-7) + butyryl chloride (141-75-3) → 1,2-bis-butyryloxy-3-stearoyloxy-propane (56149-03-2)

Guidance literature:

With pyridine; chloroform;

DOI:10.1007/BF02665113 DOI:10.1021/ja01139a029

Reference yield:

C33H70B2O10 → 1,2-bis-butyryloxy-3-stearoyloxy-propane (56149-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: 1.) DCC, DMAP / 1.) CH₂Cl₂, 2.) CH₂Cl₂

With dmap; water; dicyclohexyl-carbodiimide;

DOI:10.1016/0009-3084(95)02463-S

upstream raw materials:

octadecanoic acid 2,3-dihydroxypropyl ester

butyryl chloride

butyric acid

Stearoyl chloride

Refernces

• 1、 Lie Ken Jie, Marcel S.F.,Lam. "1H-Nuclear magnetic resonance spectroscopic studies of saturated, acetylenic and ethylenic triacylglycerols". . p. 155 - 171. Retrieved 2007/10/03.